(4-dodecylphenyl) propanoate thiophosphate

Systemtic Name: (4-dodecylphenyl) propanoate thiophosphate Openeye Name: (4-dodecylphenyl) propanoate thiophosphate CAS Name: propanoic acid (4-dodecylphenyl) ester thiophosphate IUPAC Name: (4-dodecylphenyl) propanoate thiophosphate Traditional Name: propionic acid (4-laurylphenyl) ester thiophosphate Formula: C21H34O5PS-3 MolecularWeight: 429.530421

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)OC(=O)CC.[O-]P(=S)([O-])[O-]

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)OC(=O)CC.[O-]P(=S)([O-])[O-]

InChI

InChI=1S/C21H34O2.H3O3PS/c1-3-5-6-7-8-9-10-11-12-13-14-19-15-17-20(18-16-19)23-21(22)4-2;1-4(2,3)5/h15-18H,3-14H2,1-2H3;(H3,1,2,3,5)/p-3